6-propylsulfanyl-1H-indole

C11H13NS — CID 22612775

IUPAC6-propylsulfanyl-1H-indole
SMILESCCCSc1ccc2cc[nH]c2c1
InChIInChI=1S/C11H13NS/c1-2-7-13-10-4-3-9-5-6-12-11(9)8-10/h3-6,8,12H,2,7H2,1H3
InChIKeySUAFIKODYRXPKS-UHFFFAOYSA-N
MW191.30 g/mol
LogP3.67
Rot. Bonds3

About 6-propylsulfanyl-1H-indole

6-propylsulfanyl-1H-indole (PubChem CID 22612775) has the molecular formula C11H13NS and a molecular weight of 191.30 g/mol. Its IUPAC name is 6-propylsulfanyl-1H-indole.

Molecular Properties

Compound Name6-propylsulfanyl-1H-indole
PubChem CID22612775
Molecular FormulaC11H13NS
Molecular Weight191.30 g/mol
Exact Mass191.08
IUPAC Name6-propylsulfanyl-1H-indole
SMILESCCCSc1ccc2cc[nH]c2c1
InChIInChI=1S/C11H13NS/c1-2-7-13-10-4-3-9-5-6-12-11(9)8-10/h3-6,8,12H,2,7H2,1H3
InChIKeySUAFIKODYRXPKS-UHFFFAOYSA-N
XLogP3.67
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-propylsulfanyl-1H-indole?
The IUPAC name of 6-propylsulfanyl-1H-indole (CID 22612775) is 6-propylsulfanyl-1H-indole.
What is the SMILES notation for 6-propylsulfanyl-1H-indole?
The canonical SMILES for 6-propylsulfanyl-1H-indole is CCCSc1ccc2cc[nH]c2c1.
What is the InChIKey of 6-propylsulfanyl-1H-indole?
The InChIKey is SUAFIKODYRXPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS/c1-2-7-13-10-4-3-9-5-6-12-11(9)8-10/h3-6,8,12H,2,7H2,1H3.
What are the key properties of 6-propylsulfanyl-1H-indole?
6-propylsulfanyl-1H-indole has a molecular weight of 191.30 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propylsulfanyl-1H-indole is sourced from PubChem (CID 22612775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).